Study on reversible hydrogen uptake and release of 1,2-dimethylindole as a new liquid organic hydrogen carrier |
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| Affiliation: | 1. School of Chemical Engineering and Technology, Xi''an Jiaotong University, Xi''an, 710049, China;2. School of Science, Xi''an Jiaotong University, Xi''an 710049, China;1. HySA-Infrastructure, North-West University, Faculty of Engineering, Private Bag X6001, Potchefstroom 2520, South Africa;2. Computational Chemistry Laboratory, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit 80837, Mauritius;3. Centre for Natural Product Research, Department of Chemical Sciences, University of Johannesburg, Doornfontein Campus, Johannesburg 2028, South Africa |
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| Abstract: | Indole derivatives have been considered as promising liquid organic hydrogen carriers (LOHCs) for onboard hydrogen storage applications. Here a new member of indole family, 1,2-dimethylindole (1,2-DMID), was reported as a potential liquid organic hydrogen carrier with a hydrogen storage content of 5.23 wt%, a meting point of 55 °C and a boiling point of 260 °C. Full hydrogenation and dehydrogenation of 1,2-DMID can be achieved with fast kinetics under mild conditions. The hydrogenation of 1,2-DMID followed the first order kinetics with an apparent activation energy of 85.1 kJ/mol. Dehydrogenation of fully hydrogenated product, octahydro-1,2-DMID was conducted over 5 wt% Pd/Al2O3 at 170–200 °C. The stored hydrogen can be completely released at 180 °C in 3 h and at 200 °C in 1 h. The energy barrier of dehydrogenation of octahydro-1,2-DMID was calculated to be 111.9 kJ/mol 3 times cycles of hydrogenation and dehydrogenation were employed to test the recycle ability of 1,2-DMID. The structures of intermediates were also discussed by means of Material Studio calculations. |
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| Keywords: | 1 2-dimetylindole Liquid organic hydrogen carriers Kinetics Catalytic hydrogenation Catalytic dehydrogenation |
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